2-[5-(2-bromo-5-methoxyphenyl)-1,3-oxazol-2-yl]ethanamine

C12H13BrN2O2 — CID 65179079

IUPAC2-[5-(2-bromo-5-methoxyphenyl)-1,3-oxazol-2-yl]ethanamine
SMILESCOc1ccc(Br)c(-c2cnc(CCN)o2)c1
InChIInChI=1S/C12H13BrN2O2/c1-16-8-2-3-10(13)9(6-8)11-7-15-12(17-11)4-5-14/h2-3,6-7H,4-5,14H2,1H3
InChIKeyNNCTYSFEFPEKFT-UHFFFAOYSA-N
MW297.15 g/mol
LogP2.61
Rot. Bonds4

About 2-[5-(2-bromo-5-methoxyphenyl)-1,3-oxazol-2-yl]ethanamine

2-[5-(2-bromo-5-methoxyphenyl)-1,3-oxazol-2-yl]ethanamine (PubChem CID 65179079) has the molecular formula C12H13BrN2O2 and a molecular weight of 297.15 g/mol. Its IUPAC name is 2-[5-(2-bromo-5-methoxyphenyl)-1,3-oxazol-2-yl]ethanamine.

Molecular Properties

Compound Name2-[5-(2-bromo-5-methoxyphenyl)-1,3-oxazol-2-yl]ethanamine
PubChem CID65179079
Molecular FormulaC12H13BrN2O2
Molecular Weight297.15 g/mol
Exact Mass296.02
IUPAC Name2-[5-(2-bromo-5-methoxyphenyl)-1,3-oxazol-2-yl]ethanamine
SMILESCOc1ccc(Br)c(-c2cnc(CCN)o2)c1
InChIInChI=1S/C12H13BrN2O2/c1-16-8-2-3-10(13)9(6-8)11-7-15-12(17-11)4-5-14/h2-3,6-7H,4-5,14H2,1H3
InChIKeyNNCTYSFEFPEKFT-UHFFFAOYSA-N
XLogP2.61
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.15
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(2-bromo-5-methoxyphenyl)-1,3-oxazol-2-yl]methanamine
CID 65179787
2-[5-(2-bromo-5-methoxyphenyl)-1,3-oxazol-2-yl]-N-methylethanamine
CID 65182889
2-[5-(2-fluoro-4-methoxyphenyl)-1,3-oxazol-2-yl]ethanamine
CID 102885541
N-[2-[5-(2-bromo-5-methoxyphenyl)-1,3-oxazol-2-yl]ethyl]-2-methylpropan-2-amine
CID 65182601
2-[5-(2-bromo-5-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 62069887
N-[[5-(2-bromo-5-methoxyphenyl)-1,3-oxazol-2-yl]methyl]cyclopropanamine
CID 65184310
3-[5-(2-fluoro-4-methoxyphenyl)-1,3-oxazol-2-yl]propan-1-amine
CID 102885542
5-(2-bromo-5-methoxyphenyl)-2-(1-chloroethyl)-1,3-oxazole
CID 65179645
2-[5-(4-methoxy-2,6-dimethylphenyl)-1,3-oxazol-2-yl]ethanamine
CID 82049351
[5-(4-methoxy-2-methylphenyl)-1,3-oxazol-2-yl]methanamine
CID 82360064
2-[5-(4-bromo-3-fluorophenyl)-1,3-oxazol-2-yl]ethanamine
CID 65179184
3-[5-(5-bromo-2-methoxyphenyl)-1,3-oxazol-2-yl]propan-1-amine
CID 112742085

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-bromo-5-methoxyphenyl)-1,3-oxazol-2-yl]ethanamine?
The IUPAC name of 2-[5-(2-bromo-5-methoxyphenyl)-1,3-oxazol-2-yl]ethanamine (CID 65179079) is 2-[5-(2-bromo-5-methoxyphenyl)-1,3-oxazol-2-yl]ethanamine.
What is the SMILES notation for 2-[5-(2-bromo-5-methoxyphenyl)-1,3-oxazol-2-yl]ethanamine?
The canonical SMILES for 2-[5-(2-bromo-5-methoxyphenyl)-1,3-oxazol-2-yl]ethanamine is COc1ccc(Br)c(-c2cnc(CCN)o2)c1.
What is the InChIKey of 2-[5-(2-bromo-5-methoxyphenyl)-1,3-oxazol-2-yl]ethanamine?
The InChIKey is NNCTYSFEFPEKFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2O2/c1-16-8-2-3-10(13)9(6-8)11-7-15-12(17-11)4-5-14/h2-3,6-7H,4-5,14H2,1H3.
What are the key properties of 2-[5-(2-bromo-5-methoxyphenyl)-1,3-oxazol-2-yl]ethanamine?
2-[5-(2-bromo-5-methoxyphenyl)-1,3-oxazol-2-yl]ethanamine has a molecular weight of 297.15 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-bromo-5-methoxyphenyl)-1,3-oxazol-2-yl]ethanamine is sourced from PubChem (CID 65179079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).